Geometry & MOs

Info

ID:	449678
PubChem CID:	135300567
Reduced:	NC28H29 (1)
Stoich.:	AB28C29 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	127.12
Dipole, Da:	1.8
IP(EA), eV:	-8.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl (2S)-1-pent-4-enoylazetidine-2-carboxylate

Drug info:

PubChemData

Smile

C/C=C\C1=C(N2C3=CC=CC=C3/C(=C/C)/C(=C\C=C)/C(=C/C)/C2=C1C=C)/C=C\C

DOS

IR

Vibrations